5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide

C18H16N4O3S — CID 166221463

IUPAC5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(NS(=O)(=O)c3cccc(C)c3C#N)ccc2[nH]1
InChIInChI=1S/C18H16N4O3S/c1-11-4-3-5-17(14(11)10-19)26(24,25)22-13-6-7-15-12(8-13)9-16(21-15)18(23)20-2/h3-9,21-22H,1-2H3,(H,20,23)
InChIKeyLHLZJJGWHAPMFN-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.51
Rot. Bonds4

About 5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide

5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide (PubChem CID 166221463) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
PubChem CID166221463
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(NS(=O)(=O)c3cccc(C)c3C#N)ccc2[nH]1
InChIInChI=1S/C18H16N4O3S/c1-11-4-3-5-17(14(11)10-19)26(24,25)22-13-6-7-15-12(8-13)9-16(21-15)18(23)20-2/h3-9,21-22H,1-2H3,(H,20,23)
InChIKeyLHLZJJGWHAPMFN-UHFFFAOYSA-N
XLogP2.51
TPSA114.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 166221467
N-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide
CID 166221435
methyl 2-fluoro-4-methyl-5-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate
CID 166227197
5-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 166221438
5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 167957313
methyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate
CID 166221418
N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide
CID 175836307
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide
CID 42808947
5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-1H-indole-2-carboxamide
CID 166397295
2-cyano-N-methoxy-3-methylbenzenesulfonamide
CID 86043278
3-[[(5-chloro-1H-indole-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 43053559

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide (CID 166221463) is 5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide is CNC(=O)c1cc2cc(NS(=O)(=O)c3cccc(C)c3C#N)ccc2[nH]1.
What is the InChIKey of 5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is LHLZJJGWHAPMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-11-4-3-5-17(14(11)10-19)26(24,25)22-13-6-7-15-12(8-13)9-16(21-15)18(23)20-2/h3-9,21-22H,1-2H3,(H,20,23).
What are the key properties of 5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide?
5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 166221463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).